4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

C13H10Cl2N4 — CID 134133398

IUPAC4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCn1c(-c2cccc(Cl)c2)cc2c(Cl)nc(N)nc21
InChIInChI=1S/C13H10Cl2N4/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H2,16,17,18)
InChIKeyQPDKKULDCILSCK-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.52
Rot. Bonds1

About 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 134133398) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID134133398
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCn1c(-c2cccc(Cl)c2)cc2c(Cl)nc(N)nc21
InChIInChI=1S/C13H10Cl2N4/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H2,16,17,18)
InChIKeyQPDKKULDCILSCK-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 134133398) is 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is Cn1c(-c2cccc(Cl)c2)cc2c(Cl)nc(N)nc21.
What is the InChIKey of 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QPDKKULDCILSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-19-10(7-3-2-4-8(14)5-7)6-9-11(15)17-13(16)18-12(9)19/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 293.16 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134133398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).